2QZL
Crystal Structure of human Beta Secretase complexed with IXS
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Beta-secretase 1 | polymer | 411 | 45799.5 | 1 | UniProt (P56817) Pfam (PF00026) | Homo sapiens (human) | Beta-site APP cleaving enzyme 1, Beta-site amyloid protein cleaving enzyme 1, Membrane-associated aspartic protease 2, Memapsin-2, Aspartyl protease 2, Asp 2, ASP2 |
| 2 | B (A) | N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide | non-polymer | 653.8 | 1 | Chemie (IXS) PubChem (23644701) PubChem (70339396) PubChem (11193099) | |||
| 3 | C (A) | water | water | 18.0 | 411 | Chemie (HOH) |
Sequence modifications
A: 430 - 385 (UniProt: P56817)
| PDB | External Database | Details |
|---|---|---|
| Arg 423 | - | expression tag |
| Gly 424 | - | expression tag |
| Ser 425 | - | expression tag |
| Phe 426 | - | expression tag |
| Val 427 | - | expression tag |
| Glu 428 | - | expression tag |
| Met 429 | - | expression tag |
| Ala 75 | Lys 136 | engineered mutation |
| Ala 77 | Glu 138 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 45799.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 653.8 | |
| All* | Total formula weight | 46453.3 |
